SCHEMBL2436979

SCHEMBL2436979

CCOC(=O)CN[C@H](C(=O)O)C(C)(C)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
PPID Q08752 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 6/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
PPIB P23284 1/20 0.32
PPIA P62937 1/20 0.32
PPIG Q13427 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3805306 0.83 GAA (0.43) GAAMGAMSIMGAM2PPID
SCHEMBL15971334 0.72 GAA (0.50) GAAMGAMSIMGAM2PPID
SCHEMBL2436978 0.71 GAA (0.41) GAAMGAMSIMGAM2PPID
SCHEMBL1058821 0.71 GAA (0.38) GAAMGAMSIMGAM2PPID
SCHEMBL8556849 0.71 GAA (0.48) GAAMGAMSIMGAM2PPID
SCHEMBL2434944 0.70 GGT1 (0.38)
SCHEMBL17663617 0.70 POLB (0.32) POLB
SCHEMBL27422304 0.69 GAA (0.46) GAAMGAMSIMGAM2PPID
SCHEMBL1058807 0.69 GAA (0.36) GAAMGAMSIMGAM2PPID
SCHEMBL2903501 0.68 GAA (0.45) GAAMGAMSIMGAM2PPID

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 GAA 457/4885MGAM 495/4885SI 233/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP GAA 91/4885MGAM 450/4885SI 139/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP GAA 91/4885MGAM 450/4885SI 139/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.